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Coupling-constant expression and exact relations for the kinetic-energy functional in pair-density-functional theory
http://hdl.handle.net/10091/16958
http://hdl.handle.net/10091/16958519a2c6e-66f1-49cc-81fe-488c73787221
名前 / ファイル | ライセンス | アクション |
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Item type | 学術雑誌論文 / Journal Article(1) | |||||||||
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公開日 | 2013-04-23 | |||||||||
タイトル | ||||||||||
タイトル | Coupling-constant expression and exact relations for the kinetic-energy functional in pair-density-functional theory | |||||||||
言語 | ||||||||||
言語 | eng | |||||||||
DOI | ||||||||||
関連識別子 | https://doi.org/10.1103/PhysRevA.85.062508 | |||||||||
関連名称 | 10.1103/PhysRevA.85.062508 | |||||||||
資源タイプ | ||||||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||||||
タイプ | journal article | |||||||||
著者 |
Higuchi, Katsuhiko
× Higuchi, Katsuhiko
× Higuchi, Masahiko
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信州大学研究者総覧へのリンク | ||||||||||
氏名 | Higuchi, Masahiko | |||||||||
URL | http://soar-rd.shinshu-u.ac.jp/profile/ja.gVfUPeSe.html | |||||||||
出版者 | ||||||||||
出版者 | AMER PHYSICAL SOC | |||||||||
引用 | ||||||||||
内容記述 | PHYSICAL REVIEW A. 85(6):062508 (2012) | |||||||||
書誌情報 |
PHYSICAL REVIEW A 巻 85, 号 6, p. 62508, 発行日 2012-06-11 |
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抄録 | ||||||||||
内容記述 | We derive the coupling-constant expression for the kinetic energy (KE) functional of the pair-density-functional theory. Such the expression can be effectively used in developing the approximate KE functional. Indeed, on the basis of this expression, we present an approximate form of the KE functional by means of the perturbation theory. Furthermore, as the first step of an alternative way of obtaining the approximate KE functional, we derive several relations and bounds for the KE functional by investigating how the KE functional changes with the nonuniform scaling, rotation, and translation of electron coordinates. Such relations and bounds can be utilized as restrictive conditions on the approximate form. Thus, the coupling-constant expression, relations and bounds obtained here provide useful tools for devising various types of the approximate KE functional that is indispensable for advancing the pair-density-functional theory. | |||||||||
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内容記述 | Article | |||||||||
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収録物識別子タイプ | ISSN | |||||||||
収録物識別子 | 1050-2947 | |||||||||
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収録物識別子タイプ | NCID | |||||||||
収録物識別子 | AA10764867 | |||||||||
権利 | ||||||||||
権利情報 | Copyright© 2012 The American Physical Society | |||||||||
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出版タイプ | VoR | |||||||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||
WoS | ||||||||||
URL | http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=ShinshuUniv&SrcApp=ShinshuUniv&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000305087900005 |